N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C8H14F3N5S — CID 80613568

IUPACN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1nnc(NN)s1)CC(F)(F)F
InChIInChI=1S/C8H14F3N5S/c1-5(2)16(4-8(9,10)11)3-6-14-15-7(13-12)17-6/h5H,3-4,12H2,1-2H3,(H,13,15)
InChIKeyFQVPMKYPTNIROT-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.60
Rot. Bonds5

About N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 80613568) has the molecular formula C8H14F3N5S and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID80613568
Molecular FormulaC8H14F3N5S
Molecular Weight269.30 g/mol
Exact Mass269.09
IUPAC NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1nnc(NN)s1)CC(F)(F)F
InChIInChI=1S/C8H14F3N5S/c1-5(2)16(4-8(9,10)11)3-6-14-15-7(13-12)17-6/h5H,3-4,12H2,1-2H3,(H,13,15)
InChIKeyFQVPMKYPTNIROT-UHFFFAOYSA-N
XLogP1.60
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 80613568) is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(Cc1nnc(NN)s1)CC(F)(F)F.
What is the InChIKey of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is FQVPMKYPTNIROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5S/c1-5(2)16(4-8(9,10)11)3-6-14-15-7(13-12)17-6/h5H,3-4,12H2,1-2H3,(H,13,15).
What are the key properties of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 269.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 80613568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).